5UTB

Met form of sperm whale myoglobin V68A/I107Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	34.437, 30.778, 64.043
Unit cell angles	90.00, 105.47, 90.00

Refinement procedure

Resolution	33.190 - 1.780
R-factor	0.1616
Rwork	0.160
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.907
Data scaling software	HKL-3000
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.051	0.049	0.067
Rmeas	0.056	0.055	0.078
Rpim	0.022	0.024	0.039
Number of reflections	12651
<I/σ(I)>	43.1
Completeness [%]	99.5	98.8	92.2
Redundancy	6	5.5	3.6
CC(1/2)		0.996	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M Tris-HCl, 1 mM EDTA, pH 7.4 2.56 M Ammonium Sulfate